3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile

C14H12ClN3O — CID 107056731

IUPAC3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
SMILESCOc1ccc(CNc2nccc(C#N)c2Cl)cc1
InChIInChI=1S/C14H12ClN3O/c1-19-12-4-2-10(3-5-12)9-18-14-13(15)11(8-16)6-7-17-14/h2-7H,9H2,1H3,(H,17,18)
InChIKeyKMZRRCRFDFFBCD-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.23
Rot. Bonds4

About 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile

3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 107056731) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
PubChem CID107056731
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
SMILESCOc1ccc(CNc2nccc(C#N)c2Cl)cc1
InChIInChI=1S/C14H12ClN3O/c1-19-12-4-2-10(3-5-12)9-18-14-13(15)11(8-16)6-7-17-14/h2-7H,9H2,1H3,(H,17,18)
InChIKeyKMZRRCRFDFFBCD-UHFFFAOYSA-N
XLogP3.23
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
2-chloro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 142587231
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057231
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
CID 107057828
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
CID 107057764
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
5-[[(3-chloro-4-cyano-2-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 107056526
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile (CID 107056731) is 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile is COc1ccc(CNc2nccc(C#N)c2Cl)cc1.
What is the InChIKey of 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is KMZRRCRFDFFBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-12-4-2-10(3-5-12)9-18-14-13(15)11(8-16)6-7-17-14/h2-7H,9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile?
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107056731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).